2-benzamido-4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]pentanedioic acid

Systemtic Name: 2-benzamido-4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]pentanedioic acid Openeye Name: 2-benzamido-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]pentanedioic acid CAS Name: 2-benzamido-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]pentanedioic acid IUPAC Name: 2-benzamido-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]pentanedioic acid Traditional Name: 2-benzamido-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]glutaric acid Formula: C20H22N8O5 MolecularWeight: 454.43928

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(CC(C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(CC(C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N8O5/c1-28(9-11-8-23-16-14(24-11)15(21)26-20(22)27-16)13(19(32)33)7-12(18(30)31)25-17(29)10-5-3-2-4-6-10/h2-6,8,12-13H,7,9H2,1H3,(H,25,29)(H,30,31)(H,32,33)(H4,21,22,23,26,27)